9-(4-dibenzofuran-2-ylphenyl)-3-[6-(4,6-diphenylpyrimidin-2-yl)pyrazin-2-yl]carbazole

C50H31N5O — CID 118149502

IUPAC9-(4-dibenzofuran-2-ylphenyl)-3-[6-(4,6-diphenylpyrimidin-2-yl)pyrazin-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cncc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)n3)n2)cc1
InChIInChI=1S/C50H31N5O/c1-3-11-33(12-4-1)42-29-43(34-13-5-2-6-14-34)54-50(53-42)45-31-51-30-44(52-45)36-21-25-47-40(28-36)38-15-7-9-17-46(38)55(47)37-23-19-32(20-24-37)35-22-26-49-41(27-35)39-16-8-10-18-48(39)56-49/h1-31H
InChIKeyCEBHIVHXKDISFY-UHFFFAOYSA-N
MW717.83 g/mol
LogP12.60
Rot. Bonds6

About 9-(4-dibenzofuran-2-ylphenyl)-3-[6-(4,6-diphenylpyrimidin-2-yl)pyrazin-2-yl]carbazole

9-(4-dibenzofuran-2-ylphenyl)-3-[6-(4,6-diphenylpyrimidin-2-yl)pyrazin-2-yl]carbazole (PubChem CID 118149502) has the molecular formula C50H31N5O and a molecular weight of 717.83 g/mol. Its IUPAC name is 9-(4-dibenzofuran-2-ylphenyl)-3-[6-(4,6-diphenylpyrimidin-2-yl)pyrazin-2-yl]carbazole.

Molecular Properties

Compound Name9-(4-dibenzofuran-2-ylphenyl)-3-[6-(4,6-diphenylpyrimidin-2-yl)pyrazin-2-yl]carbazole
PubChem CID118149502
Molecular FormulaC50H31N5O
Molecular Weight717.83 g/mol
Exact Mass717.25
IUPAC Name9-(4-dibenzofuran-2-ylphenyl)-3-[6-(4,6-diphenylpyrimidin-2-yl)pyrazin-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cncc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)n3)n2)cc1
InChIInChI=1S/C50H31N5O/c1-3-11-33(12-4-1)42-29-43(34-13-5-2-6-14-34)54-50(53-42)45-31-51-30-44(52-45)36-21-25-47-40(28-36)38-15-7-9-17-46(38)55(47)37-23-19-32(20-24-37)35-22-26-49-41(27-35)39-16-8-10-18-48(39)56-49/h1-31H
InChIKeyCEBHIVHXKDISFY-UHFFFAOYSA-N
XLogP12.60
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.83
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(4-dibenzofuran-2-ylphenyl)-3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 159961245
3-dibenzofuran-2-yl-9-[4-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 126632003
3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 70659228
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118149414
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 90211475
3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118503233
3-[16-(2,6-diphenylpyrimidin-4-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]-6,9-diphenylcarbazole
CID 67952805
3-dibenzofuran-3-yl-9-[4-[4-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazole;3-dibenzofuran-3-yl-9-[3-[4-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]pyrimidin-2-yl]phenyl]carbazole;3-dibenzofuran-3-yl-9-[4-[2-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 158701376
3,6-di(dibenzofuran-2-yl)-9-[3-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 152589988
9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 158561754
3-dibenzofuran-3-yl-9-[3-[6-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-2-[4-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazole;3-dibenzofuran-3-yl-9-[3-[6-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 158922276
9-[8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]carbazole
CID 166952321

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzofuran-2-ylphenyl)-3-[6-(4,6-diphenylpyrimidin-2-yl)pyrazin-2-yl]carbazole?
The IUPAC name of 9-(4-dibenzofuran-2-ylphenyl)-3-[6-(4,6-diphenylpyrimidin-2-yl)pyrazin-2-yl]carbazole (CID 118149502) is 9-(4-dibenzofuran-2-ylphenyl)-3-[6-(4,6-diphenylpyrimidin-2-yl)pyrazin-2-yl]carbazole.
What is the SMILES notation for 9-(4-dibenzofuran-2-ylphenyl)-3-[6-(4,6-diphenylpyrimidin-2-yl)pyrazin-2-yl]carbazole?
The canonical SMILES for 9-(4-dibenzofuran-2-ylphenyl)-3-[6-(4,6-diphenylpyrimidin-2-yl)pyrazin-2-yl]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cncc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)n3)n2)cc1.
What is the InChIKey of 9-(4-dibenzofuran-2-ylphenyl)-3-[6-(4,6-diphenylpyrimidin-2-yl)pyrazin-2-yl]carbazole?
The InChIKey is CEBHIVHXKDISFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5O/c1-3-11-33(12-4-1)42-29-43(34-13-5-2-6-14-34)54-50(53-42)45-31-51-30-44(52-45)36-21-25-47-40(28-36)38-15-7-9-17-46(38)55(47)37-23-19-32(20-24-37)35-22-26-49-41(27-35)39-16-8-10-18-48(39)56-49/h1-31H.
What are the key properties of 9-(4-dibenzofuran-2-ylphenyl)-3-[6-(4,6-diphenylpyrimidin-2-yl)pyrazin-2-yl]carbazole?
9-(4-dibenzofuran-2-ylphenyl)-3-[6-(4,6-diphenylpyrimidin-2-yl)pyrazin-2-yl]carbazole has a molecular weight of 717.83 g/mol, XLogP of 12.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzofuran-2-ylphenyl)-3-[6-(4,6-diphenylpyrimidin-2-yl)pyrazin-2-yl]carbazole is sourced from PubChem (CID 118149502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).